trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine

C9H18FNO — CID 126847836

IUPACtrans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine
SMILESCOCCCN[C@@H]1CCC[C@H]1F
InChIInChI=1S/C9H18FNO/c1-12-7-3-6-11-9-5-2-4-8(9)10/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyXSIFITRFVMGZIL-RKDXNWHRSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds5

About trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine

trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine (PubChem CID 126847836) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine
PubChem CID126847836
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine
SMILESCOCCCN[C@@H]1CCC[C@H]1F
InChIInChI=1S/C9H18FNO/c1-12-7-3-6-11-9-5-2-4-8(9)10/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyXSIFITRFVMGZIL-RKDXNWHRSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine (CID 126847836) is trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine is COCCCN[C@@H]1CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine?
The InChIKey is XSIFITRFVMGZIL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-12-7-3-6-11-9-5-2-4-8(9)10/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine?
trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclopentan-1-amine is sourced from PubChem (CID 126847836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).